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	hartrees
Energy at 0K	-470.416919
Energy at 298.15K	-470.421448
HF Energy	-470.273913
Nuclear repulsion energy	100.519721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3422	3042	0.02
2	A₁	1681	1494	3.79
3	A₁	1269	1128	1.72
4	A₁	1159	1030	0.10
5	A₁	821	730	3.80
6	A₂	3562	3166	0.00
7	A₂	1307	1162	0.00
8	A₂	996	885	0.00
9	B₁	3567	3171	3.43
10	B₁	1074	955	0.16
11	B₁	910	809	0.01
12	B₂	3415	3035	0.30
13	B₂	1662	1477	1.30
14	B₂	1223	1087	11.36
15	B₂	867	770	0.63

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.861
C2	0.000	0.764	-0.779
C3	0.000	-0.764	-0.779
H4	-0.919	1.274	-1.109
H5	0.919	1.274	-1.109
H6	0.919	-1.274	-1.109
H7	-0.919	-1.274	-1.109

	S1	C2	C3	H4	H5	H6	H7
S1		1.8097	1.8097	2.5199	2.5199	2.5199	2.5199
C2	1.8097		1.5288	1.1016	1.1016	2.2600	2.2600
C3	1.8097	1.5288		2.2600	2.2600	1.1016	1.1016
H4	2.5199	1.1016	2.2600		1.8389	3.1416	2.5472
H5	2.5199	1.1016	2.2600	1.8389		2.5472	3.1416
H6	2.5199	2.2600	1.1016	3.1416	2.5472		1.8389
H7	2.5199	2.2600	1.1016	2.5472	3.1416	1.8389

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.016	S1	C2	H4	117.823
S1	C2	H5	117.823	S1	C3	C2	65.016
S1	C3	H6	117.823	S1	C3	H7	117.823
C2	S1	C3	49.969	C2	C3	H6	117.533
C2	C3	H7	117.533	C3	C2	H4	117.533
C3	C2	H5	117.533	H4	C2	H5	113.154
H6	C3	H7	113.154

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2=FULL/STO-3G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H4S (Thiirane)

using model chemistry: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)